ChemSpider 2D Image | N-{(1Z)-3-(2,6-Dimethyl-4-morpholinyl)-3-oxo-1-[1-phenyl-3-(2-thienyl)-1H-pyrazol-4-yl]-1-propen-2-yl}benzamide | C29H28N4O3S

N-{(1Z)-3-(2,6-Dimethyl-4-morpholinyl)-3-oxo-1-[1-phenyl-3-(2-thienyl)-1H-pyrazol-4-yl]-1-propen-2-yl}benzamide

  • Molecular FormulaC29H28N4O3S
  • Average mass512.623 Da
  • Monoisotopic mass512.188232 Da
  • ChemSpider ID5014121

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Benzamide, N-[(Z)-1-[(2,6-dimethyl-4-morpholinyl)carbonyl]-2-[1-phenyl-3-(2-thienyl)-1H-pyrazol-4-yl]ethenyl]- [ACD/Index Name]
N-{(1Z)-3-(2,6-Dimethyl-4-morpholinyl)-3-oxo-1-[1-phenyl-3-(2-thienyl)-1H-pyrazol-4-yl]-1-propen-2-yl}benzamid [German] [ACD/IUPAC Name]
N-{(1Z)-3-(2,6-Dimethyl-4-morpholinyl)-3-oxo-1-[1-phenyl-3-(2-thienyl)-1H-pyrazol-4-yl]-1-propen-2-yl}benzamide [ACD/IUPAC Name]
N-{(1Z)-3-(2,6-Diméthyl-4-morpholinyl)-3-oxo-1-[1-phényl-3-(2-thiényl)-1H-pyrazol-4-yl]-1-propén-2-yl}benzamide [French] [ACD/IUPAC Name]
698982-19-3 [RN]
N-[(Z)-3-(2,6-dimethylmorpholin-4-yl)-3-oxo-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-1-en-2-yl]benzamide
N-{2-(2,6-dimethylmorpholin-4-yl)-2-oxo-1-[(1-phenyl-3-(2-thienyl)pyrazol-4-yl)methylene]ethyl}benzamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 780.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.5±3.0 kJ/mol
Flash Point: 425.6±32.9 °C
Index of Refraction: 1.660
Molar Refractivity: 148.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 502.92
ACD/KOC (pH 5.5): 2987.69
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 502.75
ACD/KOC (pH 7.4): 2986.70
Polar Surface Area: 105 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 51.2±7.0 dyne/cm
Molar Volume: 401.1±7.0 cm3

Click to predict properties on the Chemicalize site


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